(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol

C17H23NO2 — CID 104950590

IUPAC(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
SMILESCc1ccc2c(c1)[C@@H](O)CC1(CC(C)N(C3CC3)C1)O2
InChIInChI=1S/C17H23NO2/c1-11-3-6-16-14(7-11)15(19)9-17(20-16)8-12(2)18(10-17)13-4-5-13/h3,6-7,12-13,15,19H,4-5,8-10H2,1-2H3/t12?,15-,17?/m0/s1
InChIKeyYSGGHJDODSWJJF-VXKCQOAXSA-N
MW273.38 g/mol
LogP2.81
Rot. Bonds1

About (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol

(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol (PubChem CID 104950590) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol.

Molecular Properties

Compound Name(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
PubChem CID104950590
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
SMILESCc1ccc2c(c1)[C@@H](O)CC1(CC(C)N(C3CC3)C1)O2
InChIInChI=1S/C17H23NO2/c1-11-3-6-16-14(7-11)15(19)9-17(20-16)8-12(2)18(10-17)13-4-5-13/h3,6-7,12-13,15,19H,4-5,8-10H2,1-2H3/t12?,15-,17?/m0/s1
InChIKeyYSGGHJDODSWJJF-VXKCQOAXSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol with MolForge

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Related Compounds

3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715175
(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950482
(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825056
4'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715070
6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114711171
(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950467
(4R)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950407
6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715200
1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114713633
(4S)-1'-[(2S)-2-hydroxy-2-phenylethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51501934
(4R)-2',4',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950429

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol?
The IUPAC name of (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol (CID 104950590) is (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol.
What is the SMILES notation for (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol?
The canonical SMILES for (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol is Cc1ccc2c(c1)[C@@H](O)CC1(CC(C)N(C3CC3)C1)O2.
What is the InChIKey of (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol?
The InChIKey is YSGGHJDODSWJJF-VXKCQOAXSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-3-6-16-14(7-11)15(19)9-17(20-16)8-12(2)18(10-17)13-4-5-13/h3,6-7,12-13,15,19H,4-5,8-10H2,1-2H3/t12?,15-,17?/m0/s1.
What are the key properties of (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol?
(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol has a molecular weight of 273.38 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol is sourced from PubChem (CID 104950590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).